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CAS No.: | 81-04-9 |
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Name: | 1,5-Naphthalenedisulfonic acid |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C10H8O6S2 |
Molecular Weight: | 288.302 |
Synonyms: | Armstrong'sacid;NSC 9588;Napadisylic acid;naphthalene-1,5-disulfonic acid; |
EINECS: | 201-317-9 |
Density: | 1.704 g/cm3 |
Melting Point: | 242.5°C (rough estimate) |
Boiling Point: | 400.53°C (rough estimate) |
Solubility: | 90.52g/L at 25℃ |
Appearance: | Light yellow crystale |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 22-24/25-45-36/37/39-26 |
Transport Information: | UN 2585 |
PSA: | 125.50000 |
LogP: | 3.49480 |
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Reported in EPA TSCA Inventory.
The 1,5-Naphthalenedisulfonic acid, with the CAS registry number 81-04-9 and EINECS registry number 201-317-9, has the systematic name of naphthalene-1,5-disulfonic acid. And the molecular formula of this chemical is C10H8O6S2. It belongs to the following product categories: Intermediates of Dyes and Pigments; Organic acids. It can be prepared by the sulfonation of naphthaline. It is often used in chemical synthesis. It is sometimes used as a divalent counterion for forming salts of basic drug compounds, as an alternative to the related mesylate or tosylate salts.
The physical properties of 1,5-Naphthalenedisulfonic acid are as following:
(1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.55; (4)ACD/LogD (pH 7.4): -4.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 103.5 Å2; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 65 cm3; (15)Molar Volume: 169.1 cm3; (16)Polarizability: 25.77 10-24cm3; (17)Surface Tension: 76.4 dyne/cm; (18)Density: 1.704 g/cm3.
Safety Information of 1,5-Naphthalenedisulfonic acid:
You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe dust and then try to avoid contacting with skin and eyes; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O
(2)InChI: InChI=1/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
(3)InChIKey: XTEGVFVZDVNBPF-UHFFFAOYAR
The toxicity data of 1,5-Naphthalenedisulfonic acid is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 47gm/kg (47000mg/kg) | LIVER: LIVER FUNCTION TESTS IMPAIRED KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980. |
mouse | LD50 | oral | 47gm/kg (47000mg/kg) | LIVER: LIVER FUNCTION TESTS IMPAIRED KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980. |
rabbit | LD50 | oral | 30gm/kg (30000mg/kg) | LIVER: LIVER FUNCTION TESTS IMPAIRED KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980. |
rat | LD50 | oral | 30gm/kg (30000mg/kg) | LIVER: LIVER FUNCTION TESTS IMPAIRED KIDNEY, URETER, AND BLADDER: RENAL FUNCTION TESTS DEPRESSED | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(3), Pg. 73, 1980. |